(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(4-benzofuro[3,2-d]pyrimidinylammonio)-4-(methylthio)butanoate IUPAC Name: (2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylazaniumyl)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzofuro[3,2-d]pyrimidin-4-ylammonio)-4-(methylthio)butyrate Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])[NH2+]C1=NC=NC2=C1OC3=CC=CC=C32

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=C1OC3=CC=CC=C32

InChI

InChI=1S/C15H15N3O3S/c1-22-7-6-10(15(19)20)18-14-13-12(16-8-17-14)9-4-2-3-5-11(9)21-13/h2-5,8,10H,6-7H2,1H3,(H,19,20)(H,16,17,18)/t10-/m0/s1